N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine

C27H32N4 — CID 118717458

IUPACN,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine
SMILESCc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1
InChIInChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyWBBAPMUEBOCQHN-UHFFFAOYSA-N
MW412.58 g/mol
LogP6.87
Rot. Bonds10

About N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine

N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine (PubChem CID 118717458) has the molecular formula C27H32N4 and a molecular weight of 412.58 g/mol. Its IUPAC name is N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine.

Molecular Properties

Compound NameN,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine
PubChem CID118717458
Molecular FormulaC27H32N4
Molecular Weight412.58 g/mol
Exact Mass412.26
IUPAC NameN,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine
SMILESCc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1
InChIInChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyWBBAPMUEBOCQHN-UHFFFAOYSA-N
XLogP6.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 133466881
N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine
CID 130467289
6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine
CID 133468064
7-methyl-N-propylquinolin-4-amine
CID 71072403
N-[(4-methoxyphenyl)methyl]-6-methylquinolin-4-amine
CID 133466915
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
N-ethyl-7-methylquinolin-4-amine
CID 89060504
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
6-N,6-N-dimethyl-4-N-propylquinoline-4,6-diamine
CID 55045574
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine?
The IUPAC name of N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine (CID 118717458) is N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine.
What is the SMILES notation for N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine?
The canonical SMILES for N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine is Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1.
What is the InChIKey of N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine?
The InChIKey is WBBAPMUEBOCQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine?
N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine has a molecular weight of 412.58 g/mol, XLogP of 6.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine is sourced from PubChem (CID 118717458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).